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Electronic and optical properties of nickel-doped ceria: A computational modelling study

Cerium oxide CeO2, or ceria, has gained increasing interest owing to its excellent catalytic applications. Under the framework of density functional theory (DFT), this contribution demonstrates the effect that introducing the element nickel (Ni) into the ceria lattice has on its electronic, structural, and optical characteristics. Electronic density of states (DOSs) analysis shows that Ni integration leads to a shrinkage of Ce 4f states and improvement of Ni 3d states in the bottom of the conduction band. Furthermore, the calculated optical absorption spectra of an Ni-doped CeO2 system shifts towards longer visible light and infrared regions. Results indicate that Ni-doping a CeO2 system would result in a decrease of the band gap. Finally, Mulliken's charge transfer of the Ce1−xNixO2 system exhibits an ionic bond between Ce or Ni and O, and covalent bonds between Ce and Ni atoms. The analysis of absorption spectra demonstrates that Ni-doped CeO2 is a material with potential use in photocatalytic, photovoltaic, and solar panels.

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Publication Date
Sat Jan 05 2019
Journal Name
Iraqi Journal Of Physics
Study the structural and optical properties of titanium oxide thin film, doped with chromium prepared in Sol-Gel method

This paper presents the effect of Cr doping on the optical and structural properties of TiO2 films synthesized by sol-gel and deposited by the dip- coating technique. The characteristics of pure and Cr-doped TiO2 were studied by absorption and X-ray diffraction measurement. The spectrum of UV absorption of TiO2 chromium concentrations indicates a red shift; therefore, the energy gap decreases with increased doping. The minimum value of energy gap (2.5 eV) is found at concentration of 4 %. XRD measurements show that the anatase phase is shown for all thin films. Surface morphology measurement by atomic force microscope (AFM) showed that the roughness of thin films decrease with doping and has a minimum value with 4 wt % doping ratio.

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Publication Date
Tue Jan 01 2019
Journal Name
Aip Conference Proceedings
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Publication Date
Sun Mar 04 2018
Journal Name
Iraqi Journal Of Science
Linear Optical Properties of Bromocresol Green Dye Doped Poly Methyl Methacrylate Thin Films

In this study, we investigated the effect of Bromocresol green dye (BCG) of the PMMA thin films optical properties. Films of Poly Methyl Methacrylate doped by 10% BCG doping ratio to prepared two concentrations 2x10-4 and 6x10-4 M of PMMA-BCG dye were deposited on glass substrate using free casting method at room temperature. The optical properties of the films were determined using UV-Visible absorbance and transmittance spectra at the 300 - 900 nm wavelength range. The linear absorption coefficient and the extinction coefficient were calculated. The results showed that the optical properties were increasing by increasing the dye concentration, while the optical energy gap was decreasing with the doping. Also from

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Publication Date
Sun Jul 01 2018
Journal Name
Vacuum
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Publication Date
Mon May 28 2018
Journal Name
Iraqi Journal Of Science
Structural and Optical Properties for Zn Doped CdO Thin Films Prepared by Pulse Laser deposition

In this work, the effect of Zn dopant on structural and optical properties of cadmium oxides, CdO, thin film were studied prepared by pulse laser deposition on glass substrate then annealed at 250 ᵒC in air. All films were examined by X-ray diffraction and UV- visible spectrometer. The XRD analysis shows  appearance of  new phase identical with hexagonal ZnO additional with cubic phase at high Zn content, which effected on the optical properties. The optical energy gap increase from 2.45 eV to 2.70 eV with increasing  Zn content  from 0 to 40 %.

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Publication Date
Sun Mar 07 2010
Journal Name
Baghdad Science Journal
Structural and Optical Properties of Cobalt-Doped Zinc Oxide Thin Films Prepared By Spray Pyrolysis Technique

Undoped and Co-doped zinc oxide (CZO) thin films have been prepared by spray pyrolysis technique using solution of zinc acetate and cobalt chloride. The effect of Co dopants on structural and optical properties has been investigated. The films were found to exhibit maximum transmittance (~90%) and low absorbance. The structural properties of the deposited films were examined by x-ray diffraction (XRD). These films, deposited on glass substrates at (400? C), have a polycrystalline texture with a wurtzite hexagonal structure, and the grain size was decreased with increasing Co concentration, and no change was observed in lattice constants while the optical band gap decreased from (3.18-3.02) eV for direct allowed transition. Other parameters

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Publication Date
Tue Feb 12 2019
Journal Name
Iraqi Journal Of Physics
Structural and optical properties of ZnO doped Mg thin films deposited by pulse laser deposition (PLD)

This paper reports the effect of Mg doping on structural and optical properties of ZnO prepared by pulse laser deposition (PLD). The films deposited on glass substrate using Nd:YAG laser (1064 nm) as the light source. The structure and optical properties were characterized by X-ray diffraction (XRD) and transmittance measurements. The films grown have a polycrystalline wurtzite structure and high transmission in the UV-Vis (300-900) nm. The optical energy gap of ZnO:Mg thin films could be controlled between (3.2eV and 3.9eV). The refractive index of ZnO:Mg thin films decreases with Mg doping. The extinction coefficient and the complex dielectric constant were also investigate.

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Publication Date
Sun Oct 01 2017
Journal Name
Journal Of Alloys And Compounds
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Publication Date
Thu Sep 01 2022
Journal Name
Iraqi Journal Of Applied Physics
Fabrication and Characterization of Silver-Doped Nickel Oxide Thin Films for Gas Sensors

The work includes fabrication of undoped and silver-doped nanostructured nickel oxide in form thin films, which use for applications such as gas sensors. Pulsed-laser deposition (PLD) technique was used to fabricate the films on a glass substrate. The structure of films is studied by using techniques of x-ray diffraction, SEM, and EDX. Thermal annealing was performed on these films at 450°C to introduce its effect on the characteristics of these films. The films were doped with a silver element at different doping levels and both electrical and gas sensing characteristics were studied and compared to those of the undoped films. Reasonable enhancements in these characteristics were observed and attributed to the effects of thermal annealing

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Publication Date
Sun Jan 20 2019
Journal Name
Ibn Al-haitham Journal For Pure And Applied Sciences
Novel Co-Precipitation method for synthesis of Nanostructured Nickel Oxide in accordance to PH: Structural and Optical Properties as an Active optical filter

      Low cost Co-Precipitation  method was used for Preparation of novel nickel oxide (NiO) nano particle thin films with Simple, with two different PH values 6, 12 and its effect on structural and optical properties as an active optical filter. Experimental results of structural properties X-ray diffraction (XRD) showed that both Nickel oxide nanoparticles with (PH=6 and 12) have polycrystalline structure smaller average particle size about 8.5 nm for PH=6 in comparison with PH=12. Morphological studies using Scanning electron microscopy (SEM) and  atomic force microscope (AFM)  show uniform nano rod distribution for PH=6 with smaller average diameter, average roughness as compared with NiO with

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